3-amino-N-[[3-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine;methane

C53H59N19O7 — CID 158220307

About 3-amino-N-[[3-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine;methane

3-amino-N-[[3-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine;methane (PubChem CID 158220307) has the molecular formula C53H59N19O7 and a molecular weight of 1074.18 g/mol. Its IUPAC name is 3-amino-N-[[3-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine;methane.

Molecular Properties

• Compound Name: 3-amino-N-[[3-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine;methane
• PubChem CID: 158220307
• Molecular Formula: C53H59N19O7
• Molecular Weight: 1074.18 g/mol
• Exact Mass: 1073.48
• IUPAC Name: 3-amino-N-[[3-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine;methane
• SMILES: C.CN(C)c1cccnc1CN.CN(C)c1cccnc1CNC(=O)c1nc(-c2ccc(=O)n(C)c2)c(-c2ncco2)nc1N.Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O.[C-]#[N+]c1ncccc1N(C)C
• InChI: InChI=1S/C22H22N8O3.C14H11N5O4.C8H9N3.C8H13N3.CH4/c1-29(2)15-5-4-8-24-14(15)11-26-21(32)19-20(23)28-18(22-25-9-10-33-22)17(27-19)13-6-7-16(31)30(3)12-13;1-19-6-7(2-3-8(19)20)9-10(13-16-4-5-23-13)18-12(15)11(17-9)14(21)22;1-9-8-7(11(2)3)5-4-6-10-8;1-11(2)8-4-3-5-10-7(8)6-9;/h4-10,12H,11H2,1-3H3,(H2,23,28)(H,26,32);2-6H,1H3,(H2,15,18)(H,21,22);4-6H,2-3H3;3-5H,6,9H2,1-2H3;1H4
• InChIKey: GDDVNEDYPNESPS-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 344.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1074.18
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine;methane?

The IUPAC name of 3-amino-N-[[3-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine;methane (CID 158220307) is 3-amino-N-[[3-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine;methane.

What is the SMILES notation for 3-amino-N-[[3-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine;methane?

The canonical SMILES for 3-amino-N-[[3-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine;methane is C.CN(C)c1cccnc1CN.CN(C)c1cccnc1CNC(=O)c1nc(-c2ccc(=O)n(C)c2)c(-c2ncco2)nc1N.Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O.[C-]#[N+]c1ncccc1N(C)C.

What is the InChIKey of 3-amino-N-[[3-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine;methane?

The InChIKey is GDDVNEDYPNESPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O3.C14H11N5O4.C8H9N3.C8H13N3.CH4/c1-29(2)15-5-4-8-24-14(15)11-26-21(32)19-20(23)28-18(22-25-9-10-33-22)17(27-19)13-6-7-16(31)30(3)12-13;1-19-6-7(2-3-8(19)20)9-10(13-16-4-5-23-13)18-12(15)11(17-9)14(21)22;1-9-8-7(11(2)3)5-4-6-10-8;1-11(2)8-4-3-5-10-7(8)6-9;/h4-10,12H,11H2,1-3H3,(H2,23,28)(H,26,32);2-6H,1H3,(H2,15,18)(H,21,22);4-6H,2-3H3;3-5H,6,9H2,1-2H3;1H4.

What are the key properties of 3-amino-N-[[3-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine;methane?

3-amino-N-[[3-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine;methane has a molecular weight of 1074.18 g/mol, XLogP of 5.19, 12 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[[3-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;2-(aminomethyl)-N,N-dimethylpyridin-3-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-isocyano-N,N-dimethylpyridin-3-amine;methane is sourced from PubChem (CID 158220307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).